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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	/Profile_2 step_H	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZP; DZP; SZ	-31.93808950; Eh
	18-Sep-2019	UO2_complex	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZP; DZP; SZ	-28.35056548; Eh
	18-Sep-2019	PhNCO	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	DZP; SZ	-3.61343158; Eh
	18-Sep-2019	/Profile_2 step_I	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZP; DZP; SZ	-31.99231928; Eh
	18-Sep-2019	CO2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	DZP	-0.82216804; Eh
	9-Jun-2017	/Triangle triangle12	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Square square10	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Linear linear08	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Butterfly butterfly02	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Square square02	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-

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